tert-butyl 5-phenylmethoxy-2-[5-(trifluoromethyl)pyridin-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-phenylmethoxy-2-[5-(trifluoromethyl)pyridin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-[5-(trifluoromethyl)-2-pyridyl]indole-1-carboxylate CAS Name: 5-phenylmethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-phenylmethoxy-2-[5-(trifluoromethyl)pyridin-2-yl]indole-1-carboxylate Traditional Name: 5-benzoxy-2-[5-(trifluoromethyl)-2-pyridyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H23F3N2O3 MolecularWeight: 468.46763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H23F3N2O3/c1-25(2,3)34-24(32)31-22-12-10-20(33-16-17-7-5-4-6-8-17)13-18(22)14-23(31)21-11-9-19(15-30-21)26(27,28)29/h4-15H,16H2,1-3H3